Monomers

1-(Ethenyloxy)-3-methylbenzene

Identifiers

IUPAC name
1-ethenoxy-3-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
ZBUCIAUZAGKZOS-UHFFFAOYSA-N
SMILES
C=COc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)OC=C
Isomeric SMILES
CC1=CC(=CC=C1)OC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10O
Heavy Atom Count
10
Molecular Weight
134.178
Exact Molecular Weight
134.0732
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.5173
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.4278    0.0097   -1.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8702    1.0510   -0.4958 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5337    1.3348   -0.6569 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5092    0.4958   -0.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7814   -0.7231    0.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2589   -1.5374    0.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5467   -1.1367    0.5322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8162    0.0688   -0.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7911    0.8984   -0.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2231    0.4865   -0.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8236   -0.6412   -1.6961 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4708   -0.2472   -0.9755 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4814    1.6901    0.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8206   -0.9852    0.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0133   -2.4976    1.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3615   -1.8036    0.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0185    1.8617   -0.9571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7770    0.2903    0.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6334   -0.1669   -1.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2791    1.5518   -0.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  9 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers